Ligand 2,4,6-trinitrotoluene

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Basic Ligand Information

Molecular Structure
Picture of 2,4,6-trinitrotoluene (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H5N3O6
2,4,6-trinitrotoluene
SPSSULHKWOKEEL-UHFFFAOYSA-N
Synonyms:
reduced 2,4,6-trinitrotoluene, Trinitrotoluene

Show all pahtways known for Show all pathways known for 2,4,6-trinitrotoluene

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2,4,6-trinitrotoluene + NADPH + H+ = 4-hydroxylamino-2,6-dinitrotoluene + NADP+ + H2O
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (12 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
H2 + 2,4,6-trinitrotoluene = ?
show the reaction diagram
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NADPH + H+ + 2,4,6-trinitrotoluene = NADP+ + nitrite + ?
show the reaction diagram
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2,4,6-trinitrotoluene + NAD(P)H + = reduced 2,4,6-trinitrotoluene + NAD(P)+
show the reaction diagram
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2,4,6-trinitrotoluene + NADH + H+ = ? + NAD+
show the reaction diagram
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NADPH + H+ + 2,4,6-trinitrotoluene = NADP+ + ?
show the reaction diagram
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2,4,6-trinitrotoluene + 2 NADPH + 2 H+ = ? + 2 NADP+ + H2O
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
2,4,6-trinitrotoluene + NAD(P)H + = reduced 2,4,6-trinitrotoluene + NAD(P)+
show the reaction diagram
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Activator in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
expression of oxophytodienoate reductases increases in response to the explosive 2,4,6-trinitrotoluene, 17fold up-regulation of OPR1 in the root; expression of oxophytodienoate reductases increases in response to the explosive 2,4,6-trinitrotoluene, 6fold up-regulation of OPR2 in the root
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i.e. TNT, a nonessential activator
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Inhibitor in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
competitive
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Enzyme Kinetic Parameters

kcat Value (Turnover Number) (17 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE

KM Value (19 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.522
-
pH not specified in the publication, temperature not specified in the publication

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.08
-
pH 7.0, 25C

References & Links

Links to other databases for 2,4,6-trinitrotoluene

ChEBI
PubChem
ChEBI
PubChem